2-{(2R,3R,6S)-2-{[(1R,2S,3S,4R,6S)-4,6-Diamino-3-{[3-Deoxy-4-C-Methyl-3-(Methylamino)-L-Arabinopyranosyl]Oxy}-2-Hydroxycyclohexyl]Oxy}-6-[(1R)-1-(Methylamino)Ethyl]Tetrahydro-2H-Pyran-3-Yl}Guanidine

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Formula C22H45N7O7
IUPAC Name 2-[(2r,3r,6s)-2-[(1r,2s,3s,4r,6s)-4,6-diamino-3-[(2s,3r,4r,5r)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-[(1r)-1-(methylamino)ethyl]tetrahydropyran-3-yl]guanidine
Molecular Mass 519.635 g·mol−1
Heat of Formation -1385.1 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 631.88 Å 3
Surface Area 465.26 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 4.15 ± eV
Point Group Symmetry C1
InChIKey GEKHQVFXSOIXGF-QHVBDXQBSA-N
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